About 4-[1-[3-[(5S)-2-[4-amino-3-(3-fluoropyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[4-amino-3-(4-methylbenzenecarboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[4-amino-3-(6-propan-2-yloxypyridine-3-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-4-fluoropiperidin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5S)-2-[4-amino-3-(2-propan-2-yloxypyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide
4-[1-[3-[(5S)-2-[4-amino-3-(3-fluoropyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[4-amino-3-(4-methylbenzenecarboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[4-amino-3-(6-propan-2-yloxypyridine-3-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-4-fluoropiperidin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5S)-2-[4-amino-3-(2-propan-2-yloxypyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide (PubChem CID 158951117) has the molecular formula C150H175F2N35O8
and a molecular weight of 2634.28 g/mol. Its IUPAC name is 4-[1-[3-[(5S)-2-[4-amino-3-(3-fluoropyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[4-amino-3-(4-methylbenzenecarboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[4-amino-3-(6-propan-2-yloxypyridine-3-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-4-fluoropiperidin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5S)-2-[4-amino-3-(2-propan-2-yloxypyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide.
Frequently Asked Questions
What is the IUPAC name of 4-[1-[3-[(5S)-2-[4-amino-3-(3-fluoropyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[4-amino-3-(4-methylbenzenecarboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[4-amino-3-(6-propan-2-yloxypyridine-3-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-4-fluoropiperidin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5S)-2-[4-amino-3-(2-propan-2-yloxypyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide?
The IUPAC name of 4-[1-[3-[(5S)-2-[4-amino-3-(3-fluoropyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[4-amino-3-(4-methylbenzenecarboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[4-amino-3-(6-propan-2-yloxypyridine-3-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-4-fluoropiperidin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5S)-2-[4-amino-3-(2-propan-2-yloxypyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide (CID 158951117) is 4-[1-[3-[(5S)-2-[4-amino-3-(3-fluoropyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[4-amino-3-(4-methylbenzenecarboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[4-amino-3-(6-propan-2-yloxypyridine-3-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-4-fluoropiperidin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5S)-2-[4-amino-3-(2-propan-2-yloxypyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide.
What is the SMILES notation for 4-[1-[3-[(5S)-2-[4-amino-3-(3-fluoropyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[4-amino-3-(4-methylbenzenecarboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[4-amino-3-(6-propan-2-yloxypyridine-3-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-4-fluoropiperidin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5S)-2-[4-amino-3-(2-propan-2-yloxypyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide?
The canonical SMILES for 4-[1-[3-[(5S)-2-[4-amino-3-(3-fluoropyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[4-amino-3-(4-methylbenzenecarboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[4-amino-3-(6-propan-2-yloxypyridine-3-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-4-fluoropiperidin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5S)-2-[4-amino-3-(2-propan-2-yloxypyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide is [H]/N=C(/c1cc(N2CC[C@]3(CCN(CC(=C)N4CC=C(c5ccc(/C(N)=N/C=N/C)cc5)CC4)C3)C2=O)ccc1N)c1ccncc1F.[H]/N=C(\c1ccc(C)cc1)c1cc(N2CC[C@]3(CCN(CC(=O)N4CC=C(c5ccc(/C(N)=N/C=N/C)cc5)CC4)C3)C2=O)ccc1N.[H]/N=C(\c1ccc(OC(C)C)nc1)c1cc(N2CC[C@]3(CCN(CC(=O)N4CCC(F)(c5ccc(/C(N)=N/C=N/C)cc5)CC4)C3)C2=O)ccc1N.[H]/N=C(\c1ccnc(OC(C)C)c1)c1cc(N2CC[C@]3(CCN(CC(=C)N4CC=C(c5ccc(/C(N)=N/C=N/C)cc5)CC4)C3)C2=O)ccc1N.
What is the InChIKey of 4-[1-[3-[(5S)-2-[4-amino-3-(3-fluoropyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[4-amino-3-(4-methylbenzenecarboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[4-amino-3-(6-propan-2-yloxypyridine-3-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-4-fluoropiperidin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5S)-2-[4-amino-3-(2-propan-2-yloxypyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide?
The InChIKey is JLLASWUNTDVBEH-QOGLZVFZSA-N. The full InChI is InChI=1S/C39H47N9O2.C38H46FN9O3.C37H42N8O2.C36H40FN9O/c1-26(2)50-35-21-31(11-16-44-35)36(41)33-22-32(9-10-34(33)40)48-20-15-39(38(48)49)14-19-46(24-39)23-27(3)47-17-12-29(13-18-47)28-5-7-30(8-6-28)37(42)45-25-43-4;1-25(2)51-32-11-6-27(21-44-32)34(41)30-20-29(9-10-31(30)40)48-19-13-37(36(48)50)12-16-46(23-37)22-33(49)47-17-14-38(39,15-18-47)28-7-4-26(5-8-28)35(42)45-24-43-3;1-25-3-5-28(6-4-25)34(39)31-21-30(11-12-32(31)38)45-20-16-37(36(45)47)15-19-43(23-37)22-33(46)44-17-13-27(14-18-44)26-7-9-29(10-8-26)35(40)42-24-41-2;1-24(45-15-10-26(11-16-45)25-3-5-27(6-4-25)34(40)43-23-41-2)21-44-17-12-36(22-44)13-18-46(35(36)47)28-7-8-32(38)30(19-28)33(39)29-9-14-42-20-31(29)37/h5-12,16,21-22,25-26,41H,3,13-15,17-20,23-24,40H2,1-2,4H3,(H2,42,43,45);4-11,20-21,24-25,41H,12-19,22-23,40H2,1-3H3,(H2,42,43,45);3-13,21,24,39H,14-20,22-23,38H2,1-2H3,(H2,40,41,42);3-10,14,19-20,23,39H,1,11-13,15-18,21-22,38H2,2H3,(H2,40,41,43)/b41-36+;41-34+;39-34+;39-33+/t39-;2*37-;36-/m0000/s1.
What are the key properties of 4-[1-[3-[(5S)-2-[4-amino-3-(3-fluoropyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[4-amino-3-(4-methylbenzenecarboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[4-amino-3-(6-propan-2-yloxypyridine-3-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-4-fluoropiperidin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5S)-2-[4-amino-3-(2-propan-2-yloxypyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide?
4-[1-[3-[(5S)-2-[4-amino-3-(3-fluoropyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[4-amino-3-(4-methylbenzenecarboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[4-amino-3-(6-propan-2-yloxypyridine-3-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-4-fluoropiperidin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5S)-2-[4-amino-3-(2-propan-2-yloxypyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide has a molecular weight of 2634.28 g/mol, XLogP of 17.52, 38 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-[(5S)-2-[4-amino-3-(3-fluoropyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[4-amino-3-(4-methylbenzenecarboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[4-amino-3-(6-propan-2-yloxypyridine-3-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-4-fluoropiperidin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5S)-2-[4-amino-3-(2-propan-2-yloxypyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide is sourced from PubChem (CID 158951117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).